N-acetyl-demethylmuramyl-alanyl-isoglutamine structure

N-acetyl-demethylmuramyl-alanyl-isoglutamine

(2R)-2-[[2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]acetyl]amino]-5-amino-5-oxopentanoic acid

Also Known As: Normdp|DM-Mdp|Desmethylmuramyl dipeptide|N-Acetyl-demethylmuramyl-alanyl-isoglutamine|N-Acetyl-demethylmuramyl-L-alanyl-D-isoglutamine|D-alpha-Glutamine, N2-(N-(N-acetylmuramoyl)glycyl)-|(2R)-2-[[2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]acetyl]amino]-5-amino-5-oxopentanoic acid

CAS: 60355-77-3
Molecular Formula C18H30N4O11
Molecular Weight 478.1911 g/mol
LogP -4.1
Topological Polar Surface Area 247.0 Ų
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 11
Rotatable Bonds 12
Exact Mass 478.1911
Monoisotopic Mass 478.1911
Heavy Atoms 33
Complexity 734.0

Chemical Identifiers

CAS Number 60355-77-3
SMILES CC(C(=O)NCC(=O)N[C@H](CCC(=O)N)C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C
InChIKey USNRRZCDLWCCFF-SBFLNXPPSA-N

Product Overview

N-acetyl-demethylmuramyl-alanyl-isoglutamine (CAS 60355-77-3), with molecular formula C18H30N4O11 and molecular weight 478.1911 g/mol. IUPAC: (2R)-2-[[2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]acetyl]amino]-5-amino-5-oxopentanoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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